1-(4-chlorophenyl)-4-methylpyrazine-2,3-dione

C11H9ClN2O2 — CID 155981688

IUPAC1-(4-chlorophenyl)-4-methylpyrazine-2,3-dione
SMILESCn1ccn(-c2ccc(Cl)cc2)c(=O)c1=O
InChIInChI=1S/C11H9ClN2O2/c1-13-6-7-14(11(16)10(13)15)9-4-2-8(12)3-5-9/h2-7H,1H3
InChIKeyVCOQSTADXNVAMX-UHFFFAOYSA-N
MW236.66 g/mol
LogP1.19
Rot. Bonds1

About 1-(4-chlorophenyl)-4-methylpyrazine-2,3-dione

1-(4-chlorophenyl)-4-methylpyrazine-2,3-dione (PubChem CID 155981688) has the molecular formula C11H9ClN2O2 and a molecular weight of 236.66 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-methylpyrazine-2,3-dione.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-methylpyrazine-2,3-dione
PubChem CID155981688
Molecular FormulaC11H9ClN2O2
Molecular Weight236.66 g/mol
Exact Mass236.04
IUPAC Name1-(4-chlorophenyl)-4-methylpyrazine-2,3-dione
SMILESCn1ccn(-c2ccc(Cl)cc2)c(=O)c1=O
InChIInChI=1S/C11H9ClN2O2/c1-13-6-7-14(11(16)10(13)15)9-4-2-8(12)3-5-9/h2-7H,1H3
InChIKeyVCOQSTADXNVAMX-UHFFFAOYSA-N
XLogP1.19
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 1-(4-chlorophenyl)-4-methylpyrazine-2,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-methylpyrazine-2,3-dione?
The IUPAC name of 1-(4-chlorophenyl)-4-methylpyrazine-2,3-dione (CID 155981688) is 1-(4-chlorophenyl)-4-methylpyrazine-2,3-dione.
What is the SMILES notation for 1-(4-chlorophenyl)-4-methylpyrazine-2,3-dione?
The canonical SMILES for 1-(4-chlorophenyl)-4-methylpyrazine-2,3-dione is Cn1ccn(-c2ccc(Cl)cc2)c(=O)c1=O.
What is the InChIKey of 1-(4-chlorophenyl)-4-methylpyrazine-2,3-dione?
The InChIKey is VCOQSTADXNVAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2/c1-13-6-7-14(11(16)10(13)15)9-4-2-8(12)3-5-9/h2-7H,1H3.
What are the key properties of 1-(4-chlorophenyl)-4-methylpyrazine-2,3-dione?
1-(4-chlorophenyl)-4-methylpyrazine-2,3-dione has a molecular weight of 236.66 g/mol, XLogP of 1.19, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-methylpyrazine-2,3-dione is sourced from PubChem (CID 155981688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).